1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

C33H32F2N4O6 — CID 159719409

About 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (PubChem CID 159719409) has the molecular formula C33H32F2N4O6 and a molecular weight of 618.64 g/mol. Its IUPAC name is 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
• PubChem CID: 159719409
• Molecular Formula: C33H32F2N4O6
• Molecular Weight: 618.64 g/mol
• Exact Mass: 618.23
• IUPAC Name: 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
• SMILES: COc1nc2c(Oc3ncc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCN1CCOCC1
• InChI: InChI=1S/C33H32F2N4O6/c1-42-32-27(44-15-12-39-10-13-43-14-11-39)19-25-30(38-32)26(6-9-36-25)45-31-24(35)16-22(20-37-31)18-29(41)33(7-8-33)28(40)17-21-2-4-23(34)5-3-21/h2-6,9,16,19-20H,7-8,10-15,17-18H2,1H3
• InChIKey: MZVNCZTXZHBYBH-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 112.97 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.64
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The IUPAC name of 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (CID 159719409) is 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.

What is the SMILES notation for 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The canonical SMILES for 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is COc1nc2c(Oc3ncc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCN1CCOCC1.

What is the InChIKey of 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The InChIKey is MZVNCZTXZHBYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F2N4O6/c1-42-32-27(44-15-12-39-10-13-43-14-11-39)19-25-30(38-32)26(6-9-36-25)45-31-24(35)16-22(20-37-31)18-29(41)33(7-8-33)28(40)17-21-2-4-23(34)5-3-21/h2-6,9,16,19-20H,7-8,10-15,17-18H2,1H3.

What are the key properties of 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone has a molecular weight of 618.64 g/mol, XLogP of 4.52, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[5-fluoro-6-[[6-methoxy-7-(2-morpholin-4-ylethoxy)-1,5-naphthyridin-4-yl]oxy]-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 159719409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).